N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide

C14H12N6O3 — CID 56671919

IUPACN-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C14H12N6O3/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyAVIKWPWLKIRFIN-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.70
Rot. Bonds4

About N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (PubChem CID 56671919) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
PubChem CID56671919
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC NameN-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1
InChIInChI=1S/C14H12N6O3/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19)
InChIKeyAVIKWPWLKIRFIN-UHFFFAOYSA-N
XLogP1.70
TPSA126.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56658047
2-[[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56664976
N-hydroxy-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56668409
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671918
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56671920
N-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 56671921
N-hydroxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrimidine-5-carboxamide
CID 56675295
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56678631
2-[[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 56681958
N-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide
CID 135981704
5-(naphthalen-1-yl)-N-(pyrimidin-2-yl)-1,3,4-oxadiazol-2-amine
CID 162659805
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine
CID 162722655

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide (CID 56671919) is N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is Cc1ccc(-c2nnc(Nc3ncc(C(=O)NO)cn3)o2)cc1.
What is the InChIKey of N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is AVIKWPWLKIRFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c1-8-2-4-9(5-3-8)12-18-19-14(23-12)17-13-15-6-10(7-16-13)11(21)20-22/h2-7,22H,1H3,(H,20,21)(H,15,16,17,19).
What are the key properties of N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 56671919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).